2-(3-butyl-2-methyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide

Systemtic Name: 2-(3-butyl-2-methyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Openeye Name: 2-(3-butyl-2-methyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide CAS Name: 2-(3-butyl-2-methyl-1-benzimidazol-1-iumyl)-1-(4-chlorophenyl)ethanone bromide IUPAC Name: 2-(3-butyl-2-methylbenzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Traditional Name: 2-(3-butyl-2-methyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Formula: C20H22BrClN2O MolecularWeight: 421.75848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=[N+](C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)Cl)C.[Br-]

Isomeric SMILES

CCCCN1C(=[N+](C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)Cl)C.[Br-]

InChI

InChI=1S/C20H22ClN2O.BrH/c1-3-4-13-22-15(2)23(19-8-6-5-7-18(19)22)14-20(24)16-9-11-17(21)12-10-16;/h5-12H,3-4,13-14H2,1-2H3;1H/q+1;/p-1